UCSF

ZINC01586489

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 13 Yes

CAS Number: 607-90-9

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.01 4.92 -7.65 1 3 0 47 180.203 4
Hi High (pH 8-9.5) 3.01 5.92 -49.64 0 3 -1 49 179.195 4

Vendor Notes

Note Type Comments Provided By
BP 246 TCI

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )